N-{[2-chloro-5-(trifluoromethyl)phenyl]carbamothioyl}benzamide

Base Information

Chemical Name:N-{[2-chloro-5-(trifluoromethyl)phenyl]carbamothioyl}benzamide
CAS No.:89069-95-4
Molecular Formula:C15H10ClF3N2OS
Molecular Weight:358.771
Hs Code.:
DSSTox Substance ID:DTXSID00361769
Wikidata:Q82144268
Pharos Ligand ID:JYUFZQX3CU3H
ChEMBL ID:CHEMBL1531791

Synonyms:STK072473;N-{[2-chloro-5-(trifluoromethyl)phenyl]carbamothioyl}benzamide;SMR000194949;89069-95-4;MLS000573447;CHEMBL1531791;DTXSID00361769;HMS2166B03;HMS3309E04;AKOS002342556;AB00107362-01;N-({[2-chloro-5-(trifluoromethyl)phenyl]amino}carbonothioyl)benzamide

Suppliers and Price of N-{[2-chloro-5-(trifluoromethyl)phenyl]carbamothioyl}benzamide

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 1 raw suppliers

Chemical Property of N-{[2-chloro-5-(trifluoromethyl)phenyl]carbamothioyl}benzamide

Chemical Property:

XLogP3:5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:358.0154463
Heavy Atom Count:23
Complexity:441

Purity/Quality:: 85.0-99.8% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C(F)(F)F)Cl

Technology Process of N-{[2-chloro-5-(trifluoromethyl)phenyl]carbamothioyl}benzamide

There total 1 articles about N-{[2-chloro-5-(trifluoromethyl)phenyl]carbamothioyl}benzamide which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 91.0%

: 532-55-8
Benzoyl isothiocyanate

: 121-50-6
3-amino-4-chlorobenzotrifluoride

: 89069-95-4
N-(2-chloro-5-(trifluoromethyl)phenylcarbamothioyl)benzamide

Guidance literature:: In acetone; at 20 ℃; for 21h;
DOI:10.1021/acs.jmedchem.5b01510

Reference yield: 89.0%

: 89069-95-4
N-(2-chloro-5-(trifluoromethyl)phenylcarbamothioyl)benzamide

: 21714-35-2
1-(2-chloro-5-(trifluoromethyl)phenyl)thiourea

Guidance literature:: With sodium hydroxide; In water; at 90 ℃; for 0.333333h;
DOI:10.1021/acs.jmedchem.5b01510

Reference yield:

: 89069-95-4
N-(2-chloro-5-(trifluoromethyl)phenylcarbamothioyl)benzamide

: 3-(2-chloro-5-(trifluoromethyl)phenyl)-1-(2-fluoro-3-(trifluoromethyl)phenyl)-1-methylguanidine

Guidance literature:: Multi-step reaction with 3 steps

1: sodium hydroxide / water / 0.33 h / 90 °C

2: iodine; triethylamine / ethyl acetate / 0.17 h / 20 °C

3: hydrogenchloride / water; diethyl ether; toluene / 21 h / 130 °C

With hydrogenchloride; iodine; triethylamine; sodium hydroxide; In diethyl ether; water; ethyl acetate; toluene;
DOI:10.1021/acs.jmedchem.5b01510